REMARK  Name = BDB062871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.227  -2.911   0.888  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.292  -1.954   0.129  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.743  -1.097  -0.147  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -0.682  -0.479  -0.944  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.516  -1.706  -0.650  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.267  -0.541  -0.556  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.218   0.638   0.300  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.208   1.548  -0.114  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.946   0.935  -1.232  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        4.873   1.424  -1.842  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        3.436   2.778   0.481  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.635   3.119   1.567  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.658   2.223   2.030  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        1.462   0.985   1.405  0.00  0.00    +0.132 A 
ATOM     15  F   LIG    1        0.559   0.151   1.931  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        3.336  -0.388  -1.461  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.712  -1.335  -2.400  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.977  -2.515  -2.444  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.885  -2.699  -1.580  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  CA  LIG    1       -2.055  -1.296   0.455  0.00  0.00    +0.213 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.772   0.040   0.545  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.792   0.732   1.767  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.414   1.977   1.871  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.017   2.551   0.755  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.993   1.884  -0.469  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.370   0.639  -0.576  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.842  -2.337  -0.355  0.00  0.00    +0.330 C 
ATOM     28  O   LIG    1       -2.716  -2.583  -1.548  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -3.786  -2.978   0.369  0.00  0.00    -0.479 OA
ATOM     30  HXT LIG    1       -4.194  -3.601  -0.267  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  20
TORSDOF 5